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Substance Name: Kibdelin A
RN: 103528-50-3
InChIKey: LBADJJYNXUZTCV-UHFFFAOYSA-N

Note

  • From Kibdelosporangium aridum.

Molecular Weight

  • 1775.39
 
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Names and Synonyms

Name of Substance

  • Kibdelin A

Systematic Name

  • Ristomycin A aglycone, 5,22,31,55-tetrachloro-7-demethyl-64-O-demethyl-56-O-(2-deoxy-2-((1-oxodecyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosyl-N15-methyl-

Registry Numbers

CAS Registry Number

  • 103528-50-3

System Generated Number

  • 0103528503

Structure Descriptors

InChI

1S/C81H84Cl4N8O29/c1-3-4-5-6-7-8-9-10-53(100)87-78-68(106)65(103)40(28-94)80(122-78)121-71-50-22-33-23-51(71)118-70-42(83)19-34(20-43(70)84)64(102)62-77(113)91-60(79(114)115)38-24-35(96)25-49(119-81-69(107)67(105)66(104)52(29-95)120-81)54(38)37-17-30(11-14-44(37)97)57(73(109)93-62)88-74(110)58(33)89-75(111)59-39-26-36(27-46(99)55(39)85)116-48-21-31(12-15-45(48)98)56(86-2)72(108)92-61(76(112)90-59)63(101)32-13-16-47(117-50)41(82)18-32/h11-27,40,52,56-69,78,80-81,86,94-99,101-107H,3-10,28-29H2,1-2H3,(H,87,100)(H,88,110)(H,89,111)(H,90,112)(H,91,113)(H,92,108)(H,93,109)(H,114,115)

InChIKey

LBADJJYNXUZTCV-UHFFFAOYSA-N

Smiles

c12cc(ccc2O)[C@@H](C(N[C@@H]2C(N[C@@H](C(N[C@@H]3c4cc(Oc5ccc(cc5Cl)[C@@H]2O)c(c(Oc2c(cc([C@@H]([C@@H]5NC([C@@H](NC3=O)c3ccc(c(c3)c3c(cc(cc3O[C@@H]3O[C@@H]([C@@H]([C@@H]([C@@H]3O)O)O)CO)O)[C@@H](C(O)=O)NC5=O)O)=O)O)cc2Cl)Cl)c4)O[C@@H]2O[C@@H](NC(=O)CCCCCCCCC)[C@@H](O)[C@@H](O)[C@@H]2CO)=O)c2c(c(cc(c2)O1)O)Cl)=O)=O)NC